Changeset 1285

Timestamp:

Apr 18, 2014 1:10:27 PM (8 years ago)

Author:

vondreele

Message:

Add hkl plotting for powder reflection sets

Location:

trunk

Files:

• GSASIIIO.py (modified) (1 diff)
• GSASIIgrid.py (modified) (1 diff)
• GSASIIplot.py (modified) (6 diffs)
• GSASIIpwdGUI.py (modified) (1 diff)

trunk/GSASIIIO.py

@@ -1639 +1639 @@
             'Layer' : 0,
             'Scale' : 1.0,
-            'log-lin' : 'lin',
             }
 

trunk/GSASIIgrid.py

@@ -2592 +2592 @@
         self.SelectPhase = self.ReflEdit.Append(help='Select phase for reflection list',id=wxID_SELECTPHASE, 
             kind=wx.ITEM_NORMAL,text='Select phase')
-#        self.ReflMenu.Append(id=wxID_PWDHKLPLOT,kind=wx.ITEM_NORMAL,text='Plot HKLs',
-#            help='Plot HKLs from powder pattern')      #can't work yet; no HKL Plot Controls!
+        self.ReflEdit.Append(id=wxID_PWDHKLPLOT,kind=wx.ITEM_NORMAL,text='Plot HKLs',
+            help='Plot HKLs from powder pattern')
         self.PostfillDataMenu()
         

trunk/GSASIIplot.py

@@ -239 +239 @@
 ################################################################################
             
-def PlotSngl(self,newPlot=False):
+def PlotSngl(self,newPlot=False,Data=None,hklRef=None,Title=''):
     '''Single crystal structure factor plotting package - displays zone of reflections as rings proportional
         to F, F**2, etc. as requested
@@ -245 +245 @@
     from matplotlib.patches import Circle,CirclePolygon
     global HKL,HKLF
+
+    def OnPlotKeyPress(event):
+        newPlot = False
+        if event.key == 'h':
+            Data['Zone'] = '100'
+        elif event.key == 'k':
+            Data['Zone'] = '010'
+        elif event.key == 'l':
+            Data['Zone'] = '001'
+        elif event.key == 'u':
+            Data['Scale'] *= 1.1
+        elif event.key == 'd':
+            Data['Scale'] /= 1.1
+        elif event.key == '+':
+            Data['Layer'] += 1
+        elif event.key == '-':
+            Data['Layer'] -= 1
+        elif event.key == '0':
+            Data['Layer'] = 0
+        PlotSngl(self,False,Data,hklRef,Title)
 
     def OnSCMotion(event):
@@ -287 +307 @@
             xylim = Plot.get_xlim(),Plot.get_ylim()
         Page.figure.clf()
-        Page.Choice = None
         Plot = Page.figure.gca()          #get a fresh plot after clf()
     except ValueError:
@@ -295 +314 @@
         Page.canvas.mpl_connect('pick_event', OnSCPick)
         Page.canvas.mpl_connect('motion_notify_event', OnSCMotion)
-    Page.Choice = None
+        Page.canvas.mpl_connect('key_press_event', OnPlotKeyPress)
+    Page.Choice = (' key press','u: increase scale','d: decrease scale',
+        'h: select 100 zone','k: select 010 zone','l: select 001 zone',
+        '+: increase index','-: decrease index','0: zero layer',)
     Page.SetFocus()
     
     Plot.set_aspect(aspect='equal')
-    HKLref = self.PatternTree.GetItemPyData(self.Sngl)[1]['RefList']
-    Data = self.PatternTree.GetItemPyData( 
-        G2gd.GetPatternTreeItemId(self,self.Sngl, 'HKL Plot Controls'))
+    if self.Sngl:
+        HKLref = self.PatternTree.GetItemPyData(self.Sngl)[1]['RefList']
+        Data = self.PatternTree.GetItemPyData( 
+            G2gd.GetPatternTreeItemId(self,self.Sngl, 'HKL Plot Controls'))
+        Title = self.PatternTree.GetItemText(self.Sngl)[5:]
+    else:
+        HKLref = hklRef
+    
     Type = Data['Type']            
     scale = Data['Scale']
@@ -313 +340 @@
     pzone = [[1,2],[0,2],[0,1]]
     izone = zones.index(Data['Zone'])
-    Plot.set_title(self.PatternTree.GetItemText(self.Sngl)[5:])
+    Plot.set_title(Title)
     HKL = []
     HKLF = []
@@ -319 +346 @@
     for refl in HKLref:
         H = np.array(refl[:3])
-        Fosq,sig,Fcsq = refl[5:8]
+        if self.Sngl:
+            Fosq,sig,Fcsq = refl[5:8]
+        else:
+            Fosq,sig,Fcsq = refl[8],1.0,refl[9]
         HKL.append(H)
         HKLF.append([Fosq,sig,Fcsq])

trunk/GSASIIpwdGUI.py

@@ -2313 +2313 @@
             
         def OnPlotHKL(event):
-            PlotSngl(self,newPlot=True)           #this isn't going to work; no HKL plot controls! 
+            controls = {'Type' : 'Fo','ifFc' : True,    # 
+                'HKLmax' : [np.max(refList.T[0]),np.max(refList.T[1]),np.max(refList.T[2])],
+                'HKLmin' : [np.min(refList.T[0]),np.min(refList.T[1]),np.min(refList.T[2])],
+                'FoMax' : np.sqrt(np.max(refList.T[8])),
+                'Zone' : '001','Layer' : 0,'Scale' : 1.0,}
+            G2plt.PlotSngl(G2frame,newPlot=True,Data=controls,hklRef=refList,Title=phaseName)
         
     if G2frame.dataDisplay: